Pentyl nitrite

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  • Identifiers

    CAS number
    463-04-7

    Molecular formula
    C5H11NO2

    SMILES
    CCCCCON=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 92.39%
    Green 60.64%
    Sweet 58.14%
    Ethereal 56.53%
    Apple 47.61%
    Winey 42.74%
    Pineapple 40.14%
    Banana 39.85%
    Fermented 37.14%
    Fresh 36.48%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    117.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 104.5 °C

    Flash point est.
    17.84 ˚C

    Solubility expt.

    • Slightly soluble in water
    • Almost insoluble in water
    • Miscible with ethanol, ethyl ether
    • 3.97e+00 g/L

  • Synonyms

    • Pentyl nitrite
    • Amyl nitrite
    • 463-04-7
    • n-Amyl nitrite
    • n-Pentyl nitrite
    • Nitrous acid, pentyl ester
    • Pentyl alcohol, nitrite
    • nitrous acid pentyl ester
    • H2HUX79FYK
    • DTXSID3024522
    • CHEBI:55344
    • Pentylnitrite
    • CCRIS 763
    • EINECS 207-332-7
    • UNII-H2HUX79FYK
    • BRN 1701241
    • 1-Pentyl Nitrite; Nitramyl; n-Amyl Nitrite; n-Pentyl Nitrite
    • n-pentylnitrite
    • AI3-25184
    • amyl 1 nitrite
    • 1-pentyl nitrite
    • MFCD00036132
    • NITRITE DE PENTYLE
    • Pentyl nitrite, AldrichCPR
    • SCHEMBL34065
    • 4-01-00-01644 (Beilstein Handbook Reference)
    • DTXCID804522
    • CHEMBL3188202
    • HSDB 8468
    • Tox21_202898
    • STL268844
    • AKOS015853631
    • DB01612
    • NCGC00260444-01
    • CAS-463-04-7
    • LS-13085
    • A0455
    • NS00031596
    • A19477
    • D88264
    • A802198
    • Q412350
    • Z1255461260

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 558.01
    methanol 786.47
    isopropanol 309.09
    water 1.77
    ethyl acetate 1002.21
    n-propanol 346.07
    acetone 2617.22
    n-butanol 322.03
    acetonitrile 1232.11
    DMF 3898.45
    toluene 469.25
    isobutanol 253.57
    1,4-dioxane 1044.1
    methyl acetate 1068.73
    THF 2325.12
    2-butanone 1319.49
    n-pentanol 228.74
    sec-butanol 265.93
    n-hexane 53.43
    ethylene glycol 255.95
    NMP 4904.36
    cyclohexane 94.3
    DMSO 8269.38
    n-butyl acetate 743.53
    n-octanol 120.22
    chloroform 2237.4
    n-propyl acetate 600.36
    acetic acid 1696.61
    dichloromethane 3392.15
    cyclohexanone 2069.33
    propylene glycol 253.37
    isopropyl acetate 565.7
    DMAc 2154.09
    2-ethoxyethanol 541.42
    isopentanol 298.58
    n-heptane 28.02
    ethyl formate 731.89
    1,2-dichloroethane 2658.03
    n-hexanol 224.81
    2-methoxyethanol 1134.05
    isobutyl acetate 285.82
    tetrachloromethane 308.57
    n-pentyl acetate 369.92
    transcutol 4199.55
    n-heptanol 82.95
    ethylbenzene 263.48
    MIBK 530.4
    2-propoxyethanol 587.61
    tert-butanol 400.88
    MTBE 396.13
    2-butoxyethanol 283.1
    propionic acid 726.6
    o-xylene 342.97
    formic acid 836.19
    diethyl ether 402.42
    m-xylene 327.03
    p-xylene 332.89
    chlorobenzene 1199.18
    dimethyl carbonate 522.18
    n-octane 10.12
    formamide 1615.54
    cyclopentanone 3322.96
    2-pentanone 1053.04
    anisole 691.04
    cyclopentyl methyl ether 969.63
    gamma-butyrolactone 3580.25
    1-methoxy-2-propanol 762.12
    pyridine 1939.71
    3-pentanone 786.78
    furfural 3833.22
    n-dodecane 8.5
    diethylene glycol 588.08
    diisopropyl ether 132.68
    tert-amyl alcohol 349.47
    acetylacetone 1987.77
    n-hexadecane 10.54
    acetophenone 910.09
    methyl propionate 908.24
    isopentyl acetate 608.01
    trichloroethylene 6004.32
    n-nonanol 105.05
    cyclohexanol 400.27
    benzyl alcohol 502.75
    2-ethylhexanol 166.06
    isooctanol 75.66
    dipropyl ether 209.3
    1,2-dichlorobenzene 1367.2
    ethyl lactate 281.52
    propylene carbonate 1598.15
    n-methylformamide 1660.99
    2-pentanol 205.92
    n-pentane 37.85
    1-propoxy-2-propanol 450.79
    1-methoxy-2-propyl acetate 876.51
    2-(2-methoxypropoxy) propanol 582.04
    mesitylene 203.74
    ε-caprolactone 1610.58
    p-cymene 148.04
    epichlorohydrin 3566.01
    1,1,1-trichloroethane 1731.87
    2-aminoethanol 351.84
    morpholine-4-carbaldehyde 2787.28
    sulfolane 6012.56
    2,2,4-trimethylpentane 25.73
    2-methyltetrahydrofuran 1550.19
    n-hexyl acetate 576.57
    isooctane 21.06
    2-(2-butoxyethoxy)ethanol 806.84
    sec-butyl acetate 339.93
    tert-butyl acetate 680.0
    decalin 65.04
    glycerin 410.68
    diglyme 1550.34
    acrylic acid 978.69
    isopropyl myristate 165.33
    n-butyric acid 849.57
    acetyl acetate 906.79
    di(2-ethylhexyl) phthalate 236.76
    ethyl propionate 544.56
    nitromethane 4806.62
    1,2-diethoxyethane 695.78
    benzonitrile 938.84
    trioctyl phosphate 128.89
    1-bromopropane 764.08
    gamma-valerolactone 3452.83
    n-decanol 74.71
    triethyl phosphate 215.25
    4-methyl-2-pentanol 130.1
    propionitrile 560.13
    vinylene carbonate 1411.94
    1,1,2-trichlorotrifluoroethane 2350.64
    DMS 895.62
    cumene 158.41
    2-octanol 68.31
    2-hexanone 636.01
    octyl acetate 228.18
    limonene 239.7
    1,2-dimethoxyethane 1136.81
    ethyl orthosilicate 177.31
    tributyl phosphate 234.73
    diacetone alcohol 922.22
    N,N-dimethylaniline 450.81
    acrylonitrile 1154.86
    aniline 637.56
    1,3-propanediol 456.9
    bromobenzene 1361.04
    dibromomethane 1784.34
    1,1,2,2-tetrachloroethane 3632.08
    2-methyl-cyclohexyl acetate 362.89
    tetrabutyl urea 312.34
    diisobutyl methanol 116.29
    2-phenylethanol 431.08
    styrene 394.73
    dioctyl adipate 376.09
    dimethyl sulfate 1421.19
    ethyl butyrate 460.05
    methyl lactate 526.44
    butyl lactate 375.38
    diethyl carbonate 313.6
    propanediol butyl ether 497.06
    triethyl orthoformate 251.41
    p-tert-butyltoluene 144.77
    methyl 4-tert-butylbenzoate 465.04
    morpholine 1339.08
    tert-butylamine 223.69
    n-dodecanol 55.58
    dimethoxymethane 1095.11
    ethylene carbonate 897.1
    cyrene 614.51
    2-ethoxyethyl acetate 744.32
    2-ethylhexyl acetate 469.45
    1,2,4-trichlorobenzene 1596.03
    4-methylpyridine 1847.03
    dibutyl ether 226.86
    2,6-dimethyl-4-heptanol 116.29
    DEF 1470.89
    dimethyl isosorbide 1192.0
    tetrachloroethylene 2196.73
    eugenol 509.89
    triacetin 719.92
    span 80 483.45
    1,4-butanediol 177.52
    1,1-dichloroethane 1691.45
    2-methyl-1-pentanol 240.9
    methyl formate 1308.51
    2-methyl-1-butanol 271.23
    n-decane 14.34
    butyronitrile 572.62
    3,7-dimethyl-1-octanol 175.48
    1-chlorooctane 107.11
    1-chlorotetradecane 39.04
    n-nonane 14.45
    undecane 10.75
    tert-butylcyclohexane 46.02
    cyclooctane 30.42
    cyclopentanol 641.21
    tetrahydropyran 909.29
    tert-amyl methyl ether 337.49
    2,5,8-trioxanonane 1038.91
    1-hexene 195.46
    2-isopropoxyethanol 338.33
    2,2,2-trifluoroethanol 591.51
    methyl butyrate 837.48

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction